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Compound Detail

CHEMBL97623

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COc1ccccc1OCCN(CCC(=O)N1CCCSc2c1cnn(C)c2=O)Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL97623
Phase Preclinical
Structure Type MOL
InChI Key NKCIOGYKRVQDGA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

508.6
MW (Da)
3.59
ALogP
8
HBA
0
HBD
76.9
PSA (Ų)
0.41
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H32N4O4S
MW 508.64
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.42

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)10089-0 5-hydroxytryptamine receptor 1A 1

Data from ChEMBL 36 via Core Engine